N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-2-[3-methylbutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-2-[3-methylbutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-chloro-4-oxo-chromen-3-yl)methyl]-2-[isopentyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-2-[3-methylbutyl-[oxo-[3-(trifluoromethyl)anilino]methyl]amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-chloro-4-oxochromen-3-yl)methyl]-2-[3-methylbutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide Traditional Name: N-[(6-chloro-4-keto-chromen-3-yl)methyl]-2-[isoamyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-piperonyl-acetamide Formula: C33H31ClF3N3O6 MolecularWeight: 658.06395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC(C)CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C33H31ClF3N3O6/c1-20(2)10-11-39(32(43)38-25-5-3-4-23(13-25)33(35,36)37)17-30(41)40(15-21-6-8-28-29(12-21)46-19-45-28)16-22-18-44-27-9-7-24(34)14-26(27)31(22)42/h3-9,12-14,18,20H,10-11,15-17,19H2,1-2H3,(H,38,43)